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Information card for entry 7227552
Preview
| Coordinates | 7227552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | asarolignan D |
|---|---|
| Formula | C25 H36 O7 |
| Calculated formula | C25 H36 O7 |
| Title of publication | Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii |
| Authors of publication | Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 14 |
| Pages of publication | 8512 |
| a | 11.7316 ± 0.0005 Å |
| b | 25.2812 ± 0.0008 Å |
| c | 8.4293 ± 0.0002 Å |
| α | 90° |
| β | 97.814 ± 0.003° |
| γ | 90° |
| Cell volume | 2476.82 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227552.cif |
| 191008 | 2017-01-27 | cif/ Adding structures of 7227549, 7227550, 7227551, 7227552 via cif-deposit CGI script. |
7227552.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.